4-hydrazinyl-3-nitrobenzenethiol

C6H7N3O2S — CID 130955422

IUPAC4-hydrazinyl-3-nitrobenzenethiol
SMILESNNc1ccc(S)cc1[N+](=O)[O-]
InChIInChI=1S/C6H7N3O2S/c7-8-5-2-1-4(12)3-6(5)9(10)11/h1-3,8,12H,7H2
InChIKeyBGSZHBFQIVOTOS-UHFFFAOYSA-N
MW185.21 g/mol
LogP1.17
Rot. Bonds2

About 4-hydrazinyl-3-nitrobenzenethiol

4-hydrazinyl-3-nitrobenzenethiol (PubChem CID 130955422) has the molecular formula C6H7N3O2S and a molecular weight of 185.21 g/mol. Its IUPAC name is 4-hydrazinyl-3-nitrobenzenethiol.

Molecular Properties

Compound Name4-hydrazinyl-3-nitrobenzenethiol
PubChem CID130955422
Molecular FormulaC6H7N3O2S
Molecular Weight185.21 g/mol
Exact Mass185.03
IUPAC Name4-hydrazinyl-3-nitrobenzenethiol
SMILESNNc1ccc(S)cc1[N+](=O)[O-]
InChIInChI=1S/C6H7N3O2S/c7-8-5-2-1-4(12)3-6(5)9(10)11/h1-3,8,12H,7H2
InChIKeyBGSZHBFQIVOTOS-UHFFFAOYSA-N
XLogP1.17
TPSA81.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-(methylamino)-3-nitrobenzenethiol
CID 91728145
benzene;(2,4-dinitrophenyl)hydrazine
CID 159646359
4-amino-3-nitrobenzenethiol
CID 11423822
(4-methylsulfonyl-2-nitrophenyl)hydrazine
CID 3986701
pentakis(4-amino-3-nitrobenzenethiol);pentahydrofluoride
CID 173288594
(2,4-dinitrophenyl)hydrazine;propan-2-one
CID 162068337
1-(4-hydrazinyl-3-nitrophenyl)ethanone
CID 54491853
2-hydrazinyl-6-nitrobenzenethiol
CID 130775094
[2-nitro-4-(trifluoromethoxy)phenyl]hydrazine
CID 118835724
(4,5-dichloro-2-nitrophenyl)hydrazine;hydrochloride
CID 141488652
(4-fluoro-5-methyl-2-nitrophenyl)hydrazine
CID 103591242
2-[(4-hydrazinyl-3-nitrophenyl)methylsulfanyl]phenol
CID 62250094

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-3-nitrobenzenethiol?
The IUPAC name of 4-hydrazinyl-3-nitrobenzenethiol (CID 130955422) is 4-hydrazinyl-3-nitrobenzenethiol.
What is the SMILES notation for 4-hydrazinyl-3-nitrobenzenethiol?
The canonical SMILES for 4-hydrazinyl-3-nitrobenzenethiol is NNc1ccc(S)cc1[N+](=O)[O-].
What is the InChIKey of 4-hydrazinyl-3-nitrobenzenethiol?
The InChIKey is BGSZHBFQIVOTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2S/c7-8-5-2-1-4(12)3-6(5)9(10)11/h1-3,8,12H,7H2.
What are the key properties of 4-hydrazinyl-3-nitrobenzenethiol?
4-hydrazinyl-3-nitrobenzenethiol has a molecular weight of 185.21 g/mol, XLogP of 1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-3-nitrobenzenethiol is sourced from PubChem (CID 130955422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).